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Information card for entry 7233716
Preview
| Coordinates | 7233716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 N2 O2 |
|---|---|
| Calculated formula | C30 H20 N2 O2 |
| Title of publication | Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives |
| Authors of publication | David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 4276 - 4288 |
| a | 6.2448 ± 0.0016 Å |
| b | 11.883 ± 0.003 Å |
| c | 14.808 ± 0.005 Å |
| α | 90° |
| β | 100.99 ± 0.03° |
| γ | 90° |
| Cell volume | 1078.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218096 (current) | 2019-09-09 | cif/ Adding structures of 7233716 via cif-deposit CGI script. |
7233716.cif |
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Users of the data should acknowledge the original authors of the
structural data.